N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C10H17N3OS — CID 15944404

IUPACN-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C10H17N3OS/c1-10(2,3)12-8(14)7-15-9-11-5-6-13(9)4/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyDVOQKWUZBXVKLZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.43
Rot. Bonds3

About N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 15944404) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID15944404
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C10H17N3OS/c1-10(2,3)12-8(14)7-15-9-11-5-6-13(9)4/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyDVOQKWUZBXVKLZ-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 15944404) is N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is DVOQKWUZBXVKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,3)12-8(14)7-15-9-11-5-6-13(9)4/h5-6H,7H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 227.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 15944404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).